Exciting Electron Density Results!

We wanted to give you some very fresh results on Blind Electron Density Puzzle 7, as the native for this puzzle was just released.
Below is a superposition of the native (in blue) with the top-scoring Foldit solution (in green) by karstenw & Susume:

We knew this puzzle was going to be very difficult, since the automated methods for fitting electron density weren't able to solve this structure using the exact same density we provided you with, but Foldit players never cease to amaze us!
Not only were you able to match the native so well (which in itself is already quite a feat), but the top-scoring solution was actually able to accomplish this!

You can see in the RMSD plot below, that this is the kind of plot we dream of seeing: as the Rosetta energy gets lower (Foldit score gets higher) your solutions are getting closer to the native (further to the left on the plot).

So we just posted another Blind Electron Density Puzzle that might be a bit more difficult, as the automated methods just generated garbage using this density! Please note the short deadline on this puzzle, as the native is scheduled to be released next Wednesday.

Once that puzzle closes, we'll have a familiar Blind Electron Density Puzzle for you: CASP ROLL target R0034 (which was also De-novo Freestyle 23). We look forward to seeing how much closer to the currently-unreleased native you are able to get given electron density to work with!

Great work everybody! We realize how difficult these Electron Density puzzles are, and we are trying to implement your suggestions to make them easier and more user-friendly. As usual, thank you for your patience on this and keep up the great folding!

BONUS FOLDIT RESULTS:

I also wanted to mention the results from Puzzles 716: Two chains of Insulin Mutant, and the repost of it: Puzzle 719 which used the new Disulfide Count Score Filter that gives you a bonus for forming disulfide bridges.

RMSD plot of Puzzle 716 (without the Disulfide Filter):

RMSD plot of Puzzle 719 (using the Disulfide Filter):

As I mentioned above, what we always hope to see is that the top-scoring Foldit solutions (the lowest Rosetta energies) are the ones that are closest to the native. That was NOT the case with Puzzle 716, where the top-scoring solutions were ~8 Angstroms away from the native!
So hopefully this means that the new Disulfide Count Score Filter is working properly and doing its job. (Although we haven't posted a puzzle yet that has cysteines that DO NOT form disulfide bridges in the native, to see what those resulting plots would look like). Feel free to let us know if we post a prediction puzzle without the Disulfide Filter, but you believe that it should be forming disulfide bridges.

( Posted by  beta_helix 122 4353  |  Fri, 06/14/2013 - 06:02  |  0 comments )
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